SCHEMBL2856729

SCHEMBL2856729

C=CCNC(=S)Nc1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.59
CA9 Q16790 2/20 0.59
CA1 P00915 1/20 0.59
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31459126 0.82 BCL6 (0.58) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL1647857 0.81 ALDH1A1 (0.69) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL2236429 0.80 GAA (0.66) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL8611437 0.79 GAA (0.64) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL5448347 0.79 GAA (0.64) GAAKDM4EALDH1A1MAPTMAPK1
SCHEMBL27802960 0.76 SMN1; SMN2 (0.64) GAACA9CA1KDM4EALDH1A1
SCHEMBL7966915 0.76 CA9 (0.54) CA9ALDH1A1LMNASMN1; SMN2
SCHEMBL11839390 0.76 CDK1 (0.63) GAACA9KDM4EALDH1A1LMNA
SCHEMBL28567853 0.75 KDM4E (0.75) GAACA9CA1KDM4EALDH1A1
SCHEMBL29000359 0.75 GAA (1.00) GAAKDM4EALDH1A1MAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063962-A Optically transparent water-resistant protective film composition based on double-network structure 常熟理工学院 2023-05-05 CN claimed
CN-115160903-A Amphiphilic marine antifouling paint cured by ultraviolet light 常熟理工学院 2022-10-11 CN claimed
CN-113736364-B Underwater high-adhesion organosilicon marine antifouling paint and cured coating and preparation method thereof 浙江鱼童新材料股份有限公司 2022-06-10 CN claimed
CN-114350305-A Optically transparent water-resistant adhesive composition 上海纳尔实业股份有限公司 2022-04-15 CN claimed
CN-114015320-B Low-surface-energy organic silicon marine antifouling paint 常熟理工学院 2022-04-08 CN claimed
CN-114015320-A Low-surface-energy organic silicon marine antifouling paint 常熟理工学院 2022-02-08 CN claimed
CN-113736364-A Underwater high-adhesion organosilicon marine antifouling paint and cured coating and preparation method thereof 常熟理工学院 2021-12-03 CN claimed
CN-116063962-A Optically transparent water-resistant protective film composition based on double-network structure 常熟理工学院 2023-05-05 CN disclosed
CN-115160903-A Amphiphilic marine antifouling paint cured by ultraviolet light 常熟理工学院 2022-10-11 CN disclosed
CN-113736364-B Underwater high-adhesion organosilicon marine antifouling paint and cured coating and preparation method thereof 浙江鱼童新材料股份有限公司 2022-06-10 CN disclosed
CN-114350305-A Optically transparent water-resistant adhesive composition 上海纳尔实业股份有限公司 2022-04-15 CN disclosed
CN-114015320-B Low-surface-energy organic silicon marine antifouling paint 常熟理工学院 2022-04-08 CN disclosed
CN-114015320-A Low-surface-energy organic silicon marine antifouling paint 常熟理工学院 2022-02-08 CN disclosed
CN-113736364-A Underwater high-adhesion organosilicon marine antifouling paint and cured coating and preparation method thereof 常熟理工学院 2021-12-03 CN disclosed
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 US disclosed
US-5278169-A Method of treating or prevention of fibrillation of the heart E. R. SQUIBB & SONS, INC. (US) 1994-01-11 US disclosed
US-5011837-A Aryl cyanoguanidines: potassium channel activators and method of making same E. R. SQUIBB & SONS, INC. (US) 1991-04-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E GAA 932/4885CA9 4876/4885CA1 4843/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.